COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK096208
Chemical Name: methyl3-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamoyl}-5-nitrobenzoate
Smiles: COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1ccc(cc1)c1sc2c(n1)ccc(c2)C

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Molecular Weight: 447.47
Empirical Formula: C23H17N3O5S

Physical State: Dry powder
Available Amount: 359 mg

Lipinsky:
logP: 5.611
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 142
Number of rings: 4

     

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